Structure of IDP90781

Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound P12

Edit deposit information
CSGID target
IDP90781 
PDB Id
4MZ1 (NCBI MMDB
Authors
Y.Kim,M.Makowska-Grzyska,M.Gu,W.F.Anderson,A.Joachimiak,Csgid,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Sep 28, 2013 
Release Date
Jan 01, 2014 

Annotation

Ligands

Ligand code Name Ligand type
PTW 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane biological
K biological
SO4 crystallization
PO4 crystallization
ACY crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
I 4 2 2  
Unit Cell

a=118.06Å, b=118.06Å, c=435.16Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
45.57-2.40Å (2.44-2.40Å)  
Rall(%)
17.4 
Rwork(%)
17.2 (25.0) 
Rfree(%)
21.2 (28.7) 
Num. observed reflections
61704 (2602) 
Num. Rfree reflections
3116 (122) 
Completeness(%)
96.6 (91.0) 

Model parameters

Num Atoms
8103  
Num Waters
202  
Num Hetatoms
324  
Model mean isotropic B factor
37.560Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.150°  
RMSD dihedral angle
14.216°
 
Filename uploaded
dep.pdb (uploaded on Sep 28, 2013 7:30 PM)  
Inserted
Sep 28, 2013